#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkq s VAL 2 N 0.00 4.89 -0.23 3.84 1.01 -1.26 -4.07 120.40 124.57 1pkq s VAL 2 Ca 0.00 1.97 -0.17 0.00 0.00 0.00 0.00 61.98 63.78 1pkq s VAL 2 Cb 0.00 -4.28 0.07 0.00 0.00 0.00 0.00 36.38 32.17 1pkq s VAL 2 CO 0.00 0.16 0.60 -0.54 0.00 0.00 0.00 175.10 175.31 1pkq s LYS 3 N 1.09 0.64 0.11 2.72 1.02 -0.09 -5.01 119.74 120.22 1pkq s LYS 3 Ca 0.49 0.97 0.05 0.00 0.02 0.00 0.00 55.97 57.50 1pkq s LYS 3 Cb -0.20 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.26 1pkq s LYS 3 CO 0.25 -0.12 0.03 -0.51 -0.92 0.00 0.00 175.35 174.08 1pkq s LEU 4 N 1.02 3.55 -0.02 3.17 1.02 -1.26 -1.37 118.68 124.79 1pkq s LEU 4 Ca -0.06 -0.16 -0.01 0.00 0.02 0.00 0.00 54.13 53.92 1pkq s LEU 4 Cb -0.05 -2.25 0.02 0.00 0.02 0.00 0.00 46.19 43.93 1pkq s LEU 4 CO -0.10 0.15 0.05 -2.28 0.02 0.00 0.00 176.35 174.20 1pkq s HIS 5 N -1.42 -0.03 0.24 0.29 2.46 0.13 -3.93 115.29 113.03 1pkq s HIS 5 Ca 0.27 0.17 0.08 0.00 0.47 0.00 0.00 55.06 56.06 1pkq s HIS 5 Cb -0.11 -0.12 -0.04 0.00 -0.13 0.00 0.00 32.58 32.17 1pkq s HIS 5 CO 0.20 -0.08 0.04 -1.21 -2.47 0.00 0.00 174.74 171.22 1pkq s GLU 6 N 0.71 2.48 -0.18 2.88 2.02 -1.26 0.10 118.70 125.45 1pkq s GLU 6 Ca -0.06 -1.24 -0.30 0.00 0.02 0.00 0.00 54.97 53.39 1pkq s GLU 6 Cb -0.08 -2.31 0.14 0.00 0.10 0.00 0.00 34.13 31.97 1pkq s GLU 6 CO -0.02 0.40 1.07 -1.54 0.02 0.00 0.00 175.26 175.19 1pkq s SER 7 N -3.50 -0.29 0.00 -0.19 1.04 -0.49 -4.75 113.70 105.51 1pkq s SER 7 Ca 0.31 0.30 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1pkq s SER 7 Cb -0.08 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1pkq s SER 7 CO 0.21 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1pkq n GLY 8 N 0.61 3.42 1.43 7.32 0.00 -1.26 0.01 105.19 116.71 1pkq n GLY 8 Ca -0.08 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 1pkq n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkq n ALA 9 N -0.86 -1.79 0.95 4.61 0.00 -1.26 -4.86 120.51 117.30 1pkq n ALA 9 Ca 0.00 0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.81 1pkq n ALA 9 Cb 0.00 -0.72 0.20 0.00 0.00 0.00 0.00 19.45 18.93 1pkq n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pkq n GLY 10 N 0.61 0.96 3.02 0.00 0.00 -1.26 -4.75 105.19 103.77 1pkq n GLY 10 Ca 0.08 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 1pkq n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pkq s LEU 11 N -1.88 -0.36 0.02 0.99 2.96 -1.26 -2.55 118.68 116.60 1pkq s LEU 11 Ca 0.32 0.55 0.00 0.00 -0.22 0.00 0.00 54.13 54.79 1pkq s LEU 11 Cb 0.21 0.80 -0.02 0.00 0.50 0.00 0.00 46.19 47.68 1pkq s LEU 11 CO 0.31 -0.25 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.37 1pkq s VAL 12 N 2.45 0.14 0.23 1.68 1.01 -0.91 -5.01 120.40 119.99 1pkq s VAL 12 Ca 0.02 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 1pkq s VAL 12 Cb -0.13 -0.25 -0.09 0.00 0.00 0.00 0.00 36.38 35.91 1pkq s VAL 12 CO -0.10 -0.40 1.20 -0.54 0.00 0.00 0.00 175.10 175.26 1pkq s LYS 13 N -1.22 4.50 0.81 2.72 -0.14 -1.25 -1.38 119.74 123.78 1pkq s LYS 13 Ca -0.13 1.92 -0.16 0.00 -1.36 0.00 0.00 55.97 56.25 1pkq s LYS 13 Cb -0.08 -3.20 -0.06 0.00 -1.68 0.00 0.00 37.83 32.80 1pkq s LYS 13 CO -0.01 -0.04 0.09 -2.30 -0.76 0.00 0.00 175.35 172.33 1pkq n PRO 14 N 1.95 0.05 -2.18 -1.68 -0.02 -1.26 -2.37 135.00 129.50 1pkq n PRO 14 Ca 0.03 0.05 -0.20 0.00 -2.02 0.00 0.00 63.50 61.35 1pkq n PRO 14 Cb 0.44 -1.52 -0.03 0.00 -0.02 0.00 0.00 33.50 32.37 1pkq n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pkq n GLY 15 N 2.18 0.18 0.00 -1.23 0.00 -0.67 -4.84 105.19 100.82 1pkq n GLY 15 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1pkq n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkq n ALA 16 N -1.10 0.00 -3.18 4.61 0.00 -1.00 -4.63 120.51 115.21 1pkq n ALA 16 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 1pkq n ALA 16 Cb 0.68 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.99 1pkq n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1pkq s SER 17 N 0.91 -0.02 -0.00 0.00 1.04 -1.26 0.47 113.70 114.83 1pkq s SER 17 Ca 0.00 0.09 0.07 0.00 0.48 0.00 0.00 55.95 56.59 1pkq s SER 17 Cb 0.00 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.15 1pkq s SER 17 CO 0.00 -0.05 -0.22 0.54 0.98 0.00 0.00 173.24 174.48 1pkq s VAL 18 N 0.36 1.78 -0.48 5.02 0.11 -0.29 -4.99 120.40 121.91 1pkq s VAL 18 Ca -0.03 -1.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.02 1pkq s VAL 18 Cb -0.04 -1.49 0.13 0.00 -1.53 0.00 0.00 36.38 33.44 1pkq s VAL 18 CO -0.01 0.44 0.24 -1.61 -3.33 0.00 0.00 175.10 170.82 1pkq s GLU 19 N -0.70 1.69 0.27 1.54 2.02 -1.26 -0.50 118.70 121.77 1pkq s GLU 19 Ca 0.09 -2.34 -0.29 0.00 0.02 0.00 0.00 54.97 52.44 1pkq s GLU 19 Cb -0.09 -2.96 -0.09 0.00 0.10 0.00 0.00 34.13 31.09 1pkq s GLU 19 CO -0.00 -1.11 1.09 -1.50 0.02 0.00 0.00 175.26 173.76 1pkq s ILE 20 N 0.03 3.52 0.09 -1.63 2.07 -0.05 -4.79 121.20 120.44 1pkq s ILE 20 Ca 0.17 1.52 0.08 0.00 -1.41 0.00 0.00 60.65 61.01 1pkq s ILE 20 Cb -0.25 -3.97 -0.04 0.00 0.13 0.00 0.00 42.46 38.34 1pkq s ILE 20 CO -0.01 0.36 -0.20 -0.94 -1.91 0.00 0.00 174.94 172.24 1pkq s SER 21 N -0.85 3.75 -0.20 4.50 1.04 0.10 -1.51 113.70 120.52 1pkq s SER 21 Ca 0.45 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 56.36 1pkq s SER 21 Cb -0.32 -0.52 0.03 0.00 0.10 0.00 0.00 66.02 65.32 1pkq s SER 21 CO 0.40 0.21 -0.16 0.00 0.98 0.00 0.00 173.24 174.68 1pkq s LYS 23 N 1.26 4.06 -0.05 0.00 2.36 0.29 -0.36 119.74 127.29 1pkq s LYS 23 Ca 0.00 -0.28 0.06 0.00 -2.55 0.00 0.00 55.97 53.21 1pkq s LYS 23 Cb -0.15 -3.31 -0.02 0.00 -1.05 0.00 0.00 37.83 33.30 1pkq s LYS 23 CO -0.10 0.31 -0.23 0.00 1.55 0.00 0.00 175.35 176.88 1pkq s ALA 24 N 0.31 2.27 0.00 3.13 0.00 -0.58 0.19 121.76 127.08 1pkq s ALA 24 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1pkq s ALA 24 Cb -0.12 -0.71 -0.00 0.00 0.00 0.00 0.00 23.12 22.29 1pkq s ALA 24 CO -0.01 0.47 -0.01 0.95 0.00 0.00 0.00 175.76 177.17 1pkq s THR 25 N -0.39 0.02 0.00 0.00 -4.23 -0.47 -4.81 115.64 105.76 1pkq s THR 25 Ca 0.03 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 1pkq s THR 25 Cb -0.12 -0.05 0.00 0.00 1.34 0.00 0.00 72.50 73.67 1pkq s THR 25 CO 0.02 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1pkq n GLY 26 N 2.84 1.69 0.00 3.99 0.00 -1.26 -0.92 105.19 111.54 1pkq n GLY 26 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1pkq n GLY 26 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1pkq n TYR 27 N -0.98 0.00 -2.05 1.61 4.11 -1.26 -4.32 117.16 114.27 1pkq n TYR 27 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.63 1pkq n TYR 27 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.28 1pkq n TYR 27 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 1pkq s THR 28 N -2.00 3.50 0.47 -3.48 -1.32 -1.26 -4.79 115.64 106.77 1pkq s THR 28 Ca 0.00 -0.72 0.37 0.00 -1.21 0.00 0.00 61.69 60.13 1pkq s THR 28 Cb 0.00 -4.37 0.56 0.00 -1.51 0.00 0.00 72.50 67.19 1pkq s THR 28 CO 0.00 -0.95 1.55 0.33 -2.21 0.00 0.00 174.62 173.34 1pkq n PHE 29 N 14.37 0.51 1.76 9.09 7.35 -1.26 -2.28 117.46 147.00 1pkq n PHE 29 Ca 0.43 0.52 0.15 0.00 -0.76 0.00 0.00 57.45 57.79 1pkq n PHE 29 Cb 0.47 -0.97 0.77 0.00 0.35 0.00 0.00 39.48 40.09 1pkq n PHE 29 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1pkq n SER 30 N -4.49 0.58 -0.12 -2.13 2.88 -1.26 -4.00 113.62 105.07 1pkq n SER 30 Ca 0.41 -1.13 0.05 0.00 -1.33 0.00 0.00 58.87 56.87 1pkq n SER 30 Cb 1.68 -0.01 0.08 0.00 -0.75 0.00 0.00 64.21 65.21 1pkq n SER 30 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1pkq n SER 31 N -0.58 2.31 -4.07 -3.46 7.64 -0.97 -4.48 113.62 110.01 1pkq n SER 31 Ca 0.21 -2.47 -0.26 0.00 1.01 0.00 0.00 58.87 57.37 1pkq n SER 31 Cb 0.21 -0.21 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 1pkq n SER 31 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1pkq s PHE 32 N -1.81 1.62 0.19 1.43 0.40 -1.26 -5.09 117.98 113.47 1pkq s PHE 32 Ca 0.16 -0.57 -0.30 0.00 -0.60 0.00 0.00 56.93 55.62 1pkq s PHE 32 Cb 0.13 -1.15 -0.09 0.00 0.51 0.00 0.00 43.02 42.43 1pkq s PHE 32 CO 0.03 -0.26 1.32 -1.58 0.70 0.00 0.00 175.22 175.43 1pkq s TRP 33 N 0.45 3.25 -0.18 0.36 0.52 -1.26 -4.51 118.94 117.57 1pkq s TRP 33 Ca -0.12 1.19 -0.09 0.00 0.02 0.00 0.00 56.10 57.10 1pkq s TRP 33 Cb -0.15 -3.62 -0.05 0.00 -1.15 0.00 0.00 33.47 28.51 1pkq s TRP 33 CO 0.04 -1.95 0.12 0.42 0.02 0.00 0.00 176.95 175.60 1pkq s ILE 34 N 0.21 5.35 -0.08 2.03 -1.09 0.27 -4.24 121.20 123.65 1pkq s ILE 34 Ca 0.57 0.17 -0.03 0.00 -2.23 0.00 0.00 60.65 59.13 1pkq s ILE 34 Cb -0.37 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1pkq s ILE 34 CO 0.38 0.48 0.05 -1.61 -1.23 0.00 0.00 174.94 173.01 1pkq s GLU 35 N 0.08 3.13 -0.18 2.79 0.41 0.40 -1.35 118.70 123.97 1pkq s GLU 35 Ca 0.09 -0.34 -0.01 0.00 -0.41 0.00 0.00 54.97 54.30 1pkq s GLU 35 Cb -0.11 -2.92 -0.00 0.00 -1.78 0.00 0.00 34.13 29.32 1pkq s GLU 35 CO -0.01 0.72 -0.11 -1.58 -0.49 0.00 0.00 175.26 173.79 1pkq s TRP 36 N -0.97 2.86 -0.20 1.61 0.52 -0.82 0.26 118.94 122.20 1pkq s TRP 36 Ca 0.15 -1.04 0.01 0.00 0.02 0.00 0.00 56.10 55.25 1pkq s TRP 36 Cb -0.12 -1.98 0.03 0.00 -1.15 0.00 0.00 33.47 30.26 1pkq s TRP 36 CO 0.04 -0.52 -0.17 0.08 0.02 0.00 0.00 176.95 176.41 1pkq s VAL 37 N 1.10 2.04 0.39 4.03 1.01 0.16 -0.08 120.40 129.04 1pkq s VAL 37 Ca 0.00 -1.11 -0.15 0.00 0.00 0.00 0.00 61.98 60.72 1pkq s VAL 37 Cb -0.14 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 1pkq s VAL 37 CO -0.03 0.37 0.81 -0.75 0.00 0.00 0.00 175.10 175.50 1pkq s LYS 38 N 1.26 3.98 -0.24 2.72 2.20 -0.00 -0.10 119.74 129.55 1pkq s LYS 38 Ca 0.01 0.74 -0.03 0.00 -0.36 0.00 0.00 55.97 56.33 1pkq s LYS 38 Cb -0.15 -2.34 0.13 0.00 -1.51 0.00 0.00 37.83 33.96 1pkq s LYS 38 CO -0.11 0.02 0.40 -1.14 -0.36 0.00 0.00 175.35 174.16 1pkq s GLN 39 N -3.37 0.36 -0.12 4.03 0.74 -0.62 -0.55 119.66 120.13 1pkq s GLN 39 Ca 0.55 0.61 -0.01 0.00 0.05 0.00 0.00 55.36 56.57 1pkq s GLN 39 Cb -0.10 -0.33 -0.02 0.00 1.10 0.00 0.00 33.01 33.65 1pkq s GLN 39 CO 0.22 -0.60 -0.08 1.03 -0.55 0.00 0.00 175.29 175.31 1pkq s ARG 40 N 2.57 3.32 -0.02 1.67 0.52 -1.25 -1.23 118.95 124.54 1pkq s ARG 40 Ca 0.12 -0.58 -0.37 0.00 -0.52 0.00 0.00 55.73 54.38 1pkq s ARG 40 Cb -0.15 -2.73 -0.16 0.00 0.52 0.00 0.00 34.95 32.43 1pkq s ARG 40 CO -0.16 0.35 1.51 -2.30 0.02 0.00 0.00 175.30 174.72 1pkq n PRO 41 N 3.16 1.32 0.00 3.54 -0.02 -1.26 -0.91 135.00 140.83 1pkq n PRO 41 Ca -0.18 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1pkq n PRO 41 Cb 0.53 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1pkq n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pkq n GLY 42 N 3.18 3.22 0.10 -1.23 0.00 -1.26 -4.83 105.19 104.37 1pkq n GLY 42 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 1pkq n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pkq n HIS 43 N -1.68 0.66 -0.25 1.61 8.25 -0.08 -5.10 115.22 118.62 1pkq n HIS 43 Ca 0.00 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1pkq n HIS 43 Cb 0.00 -1.12 0.00 0.00 1.12 0.00 0.00 29.99 29.99 1pkq n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pkq n GLY 44 N 1.70 -2.21 3.79 -1.41 0.00 -1.15 -4.97 105.19 100.94 1pkq n GLY 44 Ca -0.25 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.37 1pkq n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pkq s LEU 45 N 0.00 4.45 -0.06 0.99 1.43 -1.26 -3.85 118.68 120.38 1pkq s LEU 45 Ca 0.00 1.65 0.04 0.00 -1.03 0.00 0.00 54.13 54.79 1pkq s LEU 45 Cb 0.00 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1pkq s LEU 45 CO 0.00 0.08 -0.16 -1.61 0.23 0.00 0.00 176.35 174.88 1pkq s GLU 46 N -1.65 1.95 -0.13 1.70 2.02 0.29 -5.01 118.70 117.87 1pkq s GLU 46 Ca 0.42 -0.58 -0.18 0.00 0.02 0.00 0.00 54.97 54.65 1pkq s GLU 46 Cb -0.20 -1.61 -0.04 0.00 0.10 0.00 0.00 34.13 32.38 1pkq s GLU 46 CO 0.24 0.16 0.48 -0.46 0.02 0.00 0.00 175.26 175.71 1pkq s TRP 47 N 0.30 3.50 -0.24 1.61 -0.00 -1.26 -0.82 118.94 122.03 1pkq s TRP 47 Ca -0.10 0.88 -0.10 0.00 -0.00 0.00 0.00 56.10 56.79 1pkq s TRP 47 Cb -0.14 -2.57 -0.16 0.00 -0.00 0.00 0.00 33.47 30.60 1pkq s TRP 47 CO 0.04 0.14 -0.14 -0.89 -0.00 0.00 0.00 176.95 176.10 1pkq n ILE 48 N 3.76 1.55 -2.22 5.86 5.41 0.89 -4.75 119.36 129.86 1pkq n ILE 48 Ca -0.07 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.27 1pkq n ILE 48 Cb 0.51 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.69 1pkq n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pkq n GLY 49 N 1.67 -0.59 3.69 7.39 0.00 -1.24 0.47 105.19 116.59 1pkq n GLY 49 Ca -0.46 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 1pkq n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pkq s GLU 50 N -0.81 1.91 -0.24 1.61 -1.05 -0.42 -1.95 118.70 117.75 1pkq s GLU 50 Ca 0.00 -1.39 -0.26 0.00 -0.15 0.00 0.00 54.97 53.17 1pkq s GLU 50 Cb 0.00 0.54 0.08 0.00 -0.44 0.00 0.00 34.13 34.31 1pkq s GLU 50 CO 0.00 -0.85 0.76 -1.50 0.95 0.00 0.00 175.26 174.62 1pkq s ILE 51 N -3.19 0.00 -0.47 1.83 2.07 -0.45 -2.87 121.20 118.11 1pkq s ILE 51 Ca 0.20 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.33 1pkq s ILE 51 Cb -0.03 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.66 1pkq s ILE 51 CO 0.12 0.00 0.36 -0.22 -1.91 0.00 0.00 174.94 173.30 1pkq s LEU 52 N 0.10 5.65 0.42 8.50 2.96 -0.66 -0.56 118.68 135.09 1pkq s LEU 52 Ca -0.01 -1.69 -0.26 0.00 -0.22 0.00 0.00 54.13 51.95 1pkq s LEU 52 Cb -0.04 -2.07 -0.10 0.00 0.50 0.00 0.00 46.19 44.48 1pkq s LEU 52 CO 0.01 -0.68 1.33 -2.65 -1.32 0.00 0.00 176.35 173.04 1pkq n PRO 52 N 5.03 2.08 0.00 0.98 -0.02 -1.26 -0.37 135.00 141.44 1pkq n PRO 52 Ca -0.10 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1pkq n PRO 52 Cb 0.42 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1pkq n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pkq n GLY 53 N 0.72 1.88 0.33 -1.23 0.00 -1.26 -4.44 105.19 101.20 1pkq n GLY 53 Ca 0.06 -0.46 0.10 0.00 0.00 0.00 0.00 46.02 45.71 1pkq n GLY 53 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pkq h ARG 54 N 0.00 0.68 0.00 1.61 -0.00 -1.81 -3.45 114.38 111.40 1pkq h ARG 54 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 1pkq h ARG 54 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 29.97 29.82 1pkq h ARG 54 CO 0.00 0.45 0.00 0.41 0.00 0.00 0.00 179.97 180.83 1pkq n GLY 55 N -1.33 0.67 3.77 0.04 0.00 0.51 -5.06 105.19 103.80 1pkq n GLY 55 Ca 0.20 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1pkq n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pkq s ARG 56 N -0.84 4.05 0.06 1.61 0.52 -1.18 -4.85 118.95 118.32 1pkq s ARG 56 Ca 0.00 1.74 0.04 0.00 -0.52 0.00 0.00 55.73 56.99 1pkq s ARG 56 Cb 0.00 -2.61 -0.03 0.00 0.52 0.00 0.00 34.95 32.84 1pkq s ARG 56 CO 0.00 -0.30 -0.11 0.95 0.02 0.00 0.00 175.30 175.86 1pkq s THR 57 N -1.49 0.86 -0.23 0.02 -4.23 -1.26 -1.65 115.64 107.66 1pkq s THR 57 Ca 0.58 -1.28 -0.03 0.00 -1.18 0.00 0.00 61.69 59.78 1pkq s THR 57 Cb -0.28 -0.94 0.12 0.00 1.34 0.00 0.00 72.50 72.74 1pkq s THR 57 CO 0.35 -0.34 0.31 0.20 -0.54 0.00 0.00 174.62 174.60 1pkq s ASN 58 N -1.80 0.72 0.20 3.99 0.02 -1.14 -5.01 114.94 111.93 1pkq s ASN 58 Ca -0.04 0.04 0.07 0.00 -1.02 0.00 0.00 52.86 51.91 1pkq s ASN 58 Cb -0.09 0.80 -0.04 0.00 0.02 0.00 0.00 41.25 41.95 1pkq s ASN 58 CO 0.01 -0.31 0.07 -0.31 0.02 0.00 0.00 177.10 176.58 1pkq s TYR 59 N 2.45 2.95 0.23 2.20 1.51 -1.26 -1.30 117.35 124.12 1pkq s TYR 59 Ca 0.10 -0.12 -0.30 0.00 -1.01 0.00 0.00 57.07 55.75 1pkq s TYR 59 Cb -0.16 -1.38 -0.09 0.00 -0.11 0.00 0.00 41.96 40.22 1pkq s TYR 59 CO -0.14 0.54 1.15 1.21 -1.11 0.00 0.00 175.55 177.20 1pkq s ASN 60 N -3.29 7.16 0.21 2.29 3.84 0.18 -4.91 114.94 120.42 1pkq s ASN 60 Ca 0.30 2.25 -0.15 0.00 0.21 0.00 0.00 52.86 55.47 1pkq s ASN 60 Cb -0.09 -2.62 0.23 0.00 -0.55 0.00 0.00 41.25 38.23 1pkq s ASN 60 CO 0.21 -0.27 1.61 -0.08 -2.79 0.00 0.00 177.10 175.78 1pkq h GLU 61 N 4.61 -0.04 0.00 0.43 4.57 -1.96 -0.13 114.58 122.05 1pkq h GLU 61 Ca -0.45 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.72 1pkq h GLU 61 Cb 1.21 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1pkq h GLU 61 CO 0.71 -0.03 -0.04 1.57 -1.18 0.00 0.00 179.01 180.04 1pkq h LYS 62 N -0.05 0.00 -0.02 1.92 2.10 -1.96 -1.89 116.57 116.68 1pkq h LYS 62 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 1pkq h LYS 62 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1pkq h LYS 62 CO -0.70 0.04 -0.16 1.19 -2.00 0.00 0.00 179.45 177.82 1pkq n PHE 63 N -3.53 0.00 -1.83 0.07 3.01 -0.11 -4.81 117.46 110.26 1pkq n PHE 63 Ca -0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.02 1pkq n PHE 63 Cb 0.14 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.56 1pkq n PHE 63 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1pkq s LYS 64 N -2.19 4.17 0.00 -1.08 1.02 -0.71 -0.86 119.74 120.08 1pkq s LYS 64 Ca 0.27 2.45 0.00 0.00 0.02 0.00 0.00 55.97 58.71 1pkq s LYS 64 Cb 0.20 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1pkq s LYS 64 CO 0.41 -0.76 0.00 0.41 -0.92 0.00 0.00 175.35 174.49 1pkq n GLY 65 N 4.06 2.66 0.28 -3.33 0.00 -1.26 -4.78 105.19 102.82 1pkq n GLY 65 Ca 0.16 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1pkq n GLY 65 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1pkq h LYS 66 N 0.00 -0.61 -6.17 1.61 1.63 -1.42 -3.46 116.57 108.15 1pkq h LYS 66 Ca 0.00 0.04 -0.50 0.00 -0.85 0.00 0.00 60.65 59.34 1pkq h LYS 66 Cb 0.00 0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 1pkq h LYS 66 CO 0.00 -0.33 -0.41 0.00 -3.45 0.00 0.00 179.45 175.26 1pkq s ALA 67 N -4.43 3.91 -0.24 5.00 0.00 -0.04 -4.19 121.76 121.77 1pkq s ALA 67 Ca -0.12 -1.07 -0.10 0.00 0.00 0.00 0.00 51.96 50.67 1pkq s ALA 67 Cb 0.01 -1.82 0.10 0.00 0.00 0.00 0.00 23.12 21.41 1pkq s ALA 67 CO 0.38 0.36 0.54 0.99 0.00 0.00 0.00 175.76 178.04 1pkq s THR 68 N -1.90 -0.54 0.23 0.00 2.01 -1.07 -4.81 115.64 109.56 1pkq s THR 68 Ca 0.35 0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.48 1pkq s THR 68 Cb -0.10 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 1pkq s THR 68 CO 0.29 0.03 0.30 -0.36 -0.69 0.00 0.00 174.62 174.19 1pkq s PHE 69 N 2.33 3.34 0.02 4.92 2.99 -1.26 -0.87 117.98 129.46 1pkq s PHE 69 Ca -0.06 -0.03 -0.29 0.00 0.00 0.00 0.00 56.93 56.55 1pkq s PHE 69 Cb -0.10 -1.53 0.11 0.00 0.00 0.00 0.00 43.02 41.50 1pkq s PHE 69 CO -0.16 0.47 1.22 -0.08 -0.00 0.00 0.00 175.22 176.68 1pkq s THR 70 N -1.99 0.00 0.19 0.64 -1.32 -0.73 -4.98 115.64 107.45 1pkq s THR 70 Ca 0.34 -0.31 -0.21 0.00 -1.21 0.00 0.00 61.69 60.29 1pkq s THR 70 Cb -0.09 -2.08 0.05 0.00 -1.51 0.00 0.00 72.50 68.87 1pkq s THR 70 CO 0.28 0.00 0.61 0.00 -2.21 0.00 0.00 174.62 173.30 1pkq s ALA 71 N -2.55 -1.39 -0.26 11.08 0.00 -1.26 0.88 121.76 128.25 1pkq s ALA 71 Ca 0.15 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 1pkq s ALA 71 Cb 0.03 0.87 0.08 0.00 0.00 0.00 0.00 23.12 24.10 1pkq s ALA 71 CO -0.02 -0.84 0.05 -1.83 0.00 0.00 0.00 175.76 173.12 1pkq s GLU 72 N -3.81 0.91 0.46 0.00 -1.05 -0.58 -4.90 118.70 109.72 1pkq s GLU 72 Ca 0.05 -0.90 0.28 0.00 -0.15 0.00 0.00 54.97 54.25 1pkq s GLU 72 Cb -0.02 -2.20 1.34 0.00 -0.44 0.00 0.00 34.13 32.81 1pkq s GLU 72 CO -0.07 -0.81 1.73 1.79 0.95 0.00 0.00 175.26 178.86 1pkq h THR 73 N 6.54 0.36 -0.86 1.83 1.35 -1.98 0.13 112.91 120.29 1pkq h THR 73 Ca -0.15 -0.06 0.25 0.00 -0.55 0.00 0.00 66.41 65.90 1pkq h THR 73 Cb 1.06 0.16 -0.03 0.00 -1.73 0.00 0.00 68.15 67.60 1pkq h THR 73 CO 0.42 0.03 0.66 0.77 -0.25 0.00 0.00 175.52 177.16 1pkq h SER 74 N 0.19 0.00 0.00 5.36 4.64 -1.96 -2.53 113.55 119.25 1pkq h SER 74 Ca 0.66 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 1pkq h SER 74 Cb 2.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.20 1pkq h SER 74 CO -0.23 0.00 -0.01 -1.54 -0.87 0.00 0.00 176.83 174.17 1pkq n SER 75 N -4.11 1.18 -3.93 4.97 3.41 0.41 -5.00 113.62 110.56 1pkq n SER 75 Ca 0.18 -1.65 -0.29 0.00 -0.26 0.00 0.00 58.87 56.85 1pkq n SER 75 Cb 0.97 -0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.91 1pkq n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1pkq n ASN 76 N -0.32 -3.77 -4.14 4.04 4.13 -0.96 -4.77 115.26 109.46 1pkq n ASN 76 Ca 0.01 -0.83 -0.30 0.00 1.68 0.00 0.00 54.58 55.14 1pkq n ASN 76 Cb 0.37 -3.70 -0.17 0.00 -1.54 0.00 0.00 39.78 34.75 1pkq n ASN 76 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1pkq s THR 77 N -3.40 1.74 -0.10 3.41 2.01 -1.23 -1.52 115.64 116.55 1pkq s THR 77 Ca 0.53 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 1pkq s THR 77 Cb -0.27 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 1pkq s THR 77 CO 0.85 0.49 0.02 0.00 -0.69 0.00 0.00 174.62 175.28 1pkq s ALA 78 N 0.56 3.34 0.21 7.40 0.00 0.51 -1.52 121.76 132.27 1pkq s ALA 78 Ca -0.15 -0.78 0.11 0.00 0.00 0.00 0.00 51.96 51.14 1pkq s ALA 78 Cb -0.17 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 1pkq s ALA 78 CO 0.05 0.52 -0.22 0.71 0.00 0.00 0.00 175.76 176.82 1pkq s TYR 79 N -0.67 2.23 -0.05 0.00 1.51 0.25 0.65 117.35 121.27 1pkq s TYR 79 Ca 0.11 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1pkq s TYR 79 Cb -0.12 -1.07 0.02 0.00 -0.11 0.00 0.00 41.96 40.68 1pkq s TYR 79 CO 0.02 0.53 -0.04 1.41 -1.11 0.00 0.00 175.55 176.37 1pkq s MET 80 N -2.90 0.79 -0.29 -0.62 1.75 -0.57 -1.78 119.30 115.68 1pkq s MET 80 Ca 0.22 -0.07 0.03 0.00 -1.25 0.00 0.00 55.69 54.62 1pkq s MET 80 Cb -0.07 -0.86 0.08 0.00 2.84 0.00 0.00 34.83 36.82 1pkq s MET 80 CO 0.11 -0.12 -0.04 -1.14 -0.65 0.00 0.00 175.02 173.18 1pkq s GLN 81 N 1.09 1.80 0.76 4.11 0.74 -0.05 -0.87 119.66 127.25 1pkq s GLN 81 Ca -0.08 -1.46 -0.06 0.00 0.05 0.00 0.00 55.36 53.80 1pkq s GLN 81 Cb -0.14 -2.91 0.11 0.00 1.10 0.00 0.00 33.01 31.18 1pkq s GLN 81 CO -0.01 -0.72 1.06 -0.51 -0.55 0.00 0.00 175.29 174.56 1pkq s LEU 82 N 1.10 2.88 0.00 3.68 1.43 0.35 -2.59 118.68 125.52 1pkq s LEU 82 Ca -0.01 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1pkq s LEU 82 Cb -0.19 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.48 1pkq s LEU 82 CO -0.07 -1.91 0.00 -1.20 0.23 0.00 0.00 176.35 173.40 1pkq n SER 82 N -3.05 0.00 -4.56 2.29 7.64 0.18 -1.14 113.62 114.98 1pkq n SER 82 Ca 0.12 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.61 1pkq n SER 82 Cb 0.60 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.83 1pkq n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1pkq n LEU 82 N -0.74 2.22 -4.16 -3.43 7.99 -0.69 -4.56 117.00 113.63 1pkq n LEU 82 Ca 0.00 0.86 -0.10 0.00 -0.01 0.00 0.00 56.01 56.76 1pkq n LEU 82 Cb 0.00 -1.29 -0.10 0.00 -0.11 0.00 0.00 43.42 41.92 1pkq n LEU 82 CO 0.00 -2.18 -0.26 -0.89 -1.51 0.00 0.00 177.39 172.55 1pkq s THR 83 N -1.50 0.06 0.36 -5.08 2.01 -1.26 -1.66 115.64 108.57 1pkq s THR 83 Ca 0.69 -1.92 0.05 0.00 0.31 0.00 0.00 61.69 60.83 1pkq s THR 83 Cb -0.48 -2.20 0.20 0.00 0.01 0.00 0.00 72.50 70.03 1pkq s THR 83 CO 0.53 -0.29 1.95 0.28 -0.69 0.00 0.00 174.62 176.40 1pkq h SER 84 N 2.76 0.49 0.15 3.53 0.02 -1.96 0.54 113.55 119.07 1pkq h SER 84 Ca -0.35 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1pkq h SER 84 Cb 1.22 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1pkq h SER 84 CO 0.56 0.48 0.00 -0.62 -1.14 0.00 0.00 176.83 176.11 1pkq n GLU 85 N -4.36 0.03 -0.42 3.45 -0.58 -1.26 0.60 120.64 118.11 1pkq n GLU 85 Ca 0.02 0.46 0.10 0.00 -0.42 0.00 0.00 57.16 57.33 1pkq n GLU 85 Cb 0.17 -1.59 0.31 0.00 -0.57 0.00 0.00 31.44 29.76 1pkq n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1pkq n ASP 86 N -1.66 3.89 -4.50 1.62 10.43 0.19 -4.83 116.55 121.68 1pkq n ASP 86 Ca 0.01 -2.13 -0.43 0.00 2.57 0.00 0.00 54.79 54.80 1pkq n ASP 86 Cb 0.05 -0.49 -0.06 0.00 1.84 0.00 0.00 41.12 42.47 1pkq n ASP 86 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1pkq s SER 87 N -0.95 6.31 0.01 -2.24 0.01 0.20 -4.72 113.70 112.31 1pkq s SER 87 Ca 0.46 -0.47 -0.02 0.00 1.31 0.00 0.00 55.95 57.23 1pkq s SER 87 Cb 0.26 -2.34 0.01 0.00 0.21 0.00 0.00 66.02 64.16 1pkq s SER 87 CO 0.28 -0.90 0.10 0.00 0.41 0.00 0.00 173.24 173.13 1pkq n ALA 88 N 6.49 -0.27 -2.81 1.44 0.00 0.87 -4.76 120.51 121.47 1pkq n ALA 88 Ca -0.02 -0.08 -0.40 0.00 0.00 0.00 0.00 53.44 52.94 1pkq n ALA 88 Cb 0.47 0.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.84 1pkq n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pkq s VAL 89 N -2.34 4.60 -0.12 0.00 1.01 -0.37 -0.65 120.40 122.53 1pkq s VAL 89 Ca 0.02 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 1pkq s VAL 89 Cb -0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 1pkq s VAL 89 CO 0.00 -0.21 0.32 -0.31 0.00 0.00 0.00 175.10 174.90 1pkq s TYR 90 N 1.56 3.53 0.38 5.22 1.51 -0.79 -1.59 117.35 127.17 1pkq s TYR 90 Ca 0.02 0.69 0.08 0.00 -1.01 0.00 0.00 57.07 56.85 1pkq s TYR 90 Cb -0.19 -2.31 -0.05 0.00 -0.11 0.00 0.00 41.96 39.29 1pkq s TYR 90 CO 0.07 0.36 0.11 0.71 -1.11 0.00 0.00 175.55 175.68 1pkq s TYR 91 N 0.05 2.59 -0.02 2.71 1.51 0.85 -2.63 117.35 122.42 1pkq s TYR 91 Ca 0.19 -0.53 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 1pkq s TYR 91 Cb -0.14 -1.77 0.02 0.00 -0.11 0.00 0.00 41.96 39.96 1pkq s TYR 91 CO 0.06 0.32 0.00 0.00 -1.11 0.00 0.00 175.55 174.82 1pkq s ALA 93 N 0.58 1.38 0.34 0.00 0.00 0.14 -2.00 121.76 122.20 1pkq s ALA 93 Ca -0.05 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 50.73 1pkq s ALA 93 Cb -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1pkq s ALA 93 CO -0.01 0.09 0.22 -0.08 0.00 0.00 0.00 175.76 175.97 1pkq s THR 94 N -2.06 0.18 0.00 0.00 -1.32 -0.62 0.15 115.64 111.97 1pkq s THR 94 Ca 0.07 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.55 1pkq s THR 94 Cb -0.05 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.48 1pkq s THR 94 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 1pkq n GLY 95 N -0.67 3.74 0.00 6.08 0.00 -1.26 -2.51 105.19 110.57 1pkq n GLY 95 Ca 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1pkq n GLY 95 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pkq n ASN 96 N 0.00 0.15 0.32 1.61 2.04 0.17 -4.94 115.26 114.61 1pkq n ASN 96 Ca 0.00 -0.86 0.19 0.00 -0.44 0.00 0.00 54.58 53.48 1pkq n ASN 96 Cb 0.00 0.00 1.06 0.00 -2.53 0.00 0.00 39.78 38.31 1pkq n ASN 96 CO 0.00 0.00 0.00 0.74 -0.44 0.00 0.00 177.26 177.56 1pkq h THR 97 N 0.86 0.23 0.00 5.53 2.02 -2.03 -3.08 112.91 116.44 1pkq h THR 97 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1pkq h THR 97 Cb 0.00 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1pkq h THR 97 CO 0.00 0.01 -0.52 0.23 0.37 0.00 0.00 175.52 175.61 1pkq n MET 98 N -3.40 3.89 -3.76 6.66 2.81 -1.26 -5.02 117.12 117.04 1pkq n MET 98 Ca -0.03 -0.01 -0.13 0.00 -1.81 0.00 0.00 57.70 55.72 1pkq n MET 98 Cb 0.10 -0.85 -0.10 0.00 -0.71 0.00 0.00 33.22 31.65 1pkq n MET 98 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1pkq s VAL 99 N -1.73 0.01 -0.21 2.03 -7.23 -1.16 -5.13 120.40 106.97 1pkq s VAL 99 Ca 0.01 -0.07 -0.04 0.00 -1.81 0.00 0.00 61.98 60.07 1pkq s VAL 99 Cb 0.04 -0.49 -0.01 0.00 0.56 0.00 0.00 36.38 36.48 1pkq s VAL 99 CO 0.22 -0.04 -0.04 0.54 -0.31 0.00 0.00 175.10 175.47 1pkq s ASN 100 N -0.05 4.40 0.00 4.85 4.22 -1.26 0.43 114.94 127.52 1pkq s ASN 100 Ca -0.02 -0.34 0.00 0.00 -2.14 0.00 0.00 52.86 50.36 1pkq s ASN 100 Cb -0.03 -1.75 0.00 0.00 1.28 0.00 0.00 41.25 40.75 1pkq s ASN 100 CO 0.01 0.01 0.00 0.23 -2.04 0.00 0.00 177.10 175.31 1pkq n MET 100 N 4.56 0.00 0.01 3.55 2.81 -1.04 -4.94 117.12 122.07 1pkq n MET 100 Ca -0.18 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.82 1pkq n MET 100 Cb 0.51 -1.94 -0.11 0.00 -0.71 0.00 0.00 33.22 30.97 1pkq n MET 100 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1pkq n PRO 101 N -0.67 0.51 -4.48 0.03 -0.04 -1.04 -4.87 135.00 124.44 1pkq n PRO 101 Ca 0.00 -0.10 -0.33 0.00 -0.04 0.00 0.00 63.50 63.03 1pkq n PRO 101 Cb 0.39 -1.57 -0.15 0.00 -0.04 0.00 0.00 33.50 32.13 1pkq n PRO 101 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1pkq s TYR 102 N -3.38 2.84 -0.02 0.54 2.02 -1.09 -5.04 117.35 113.22 1pkq s TYR 102 Ca -0.03 -0.86 0.05 0.00 -0.37 0.00 0.00 57.07 55.87 1pkq s TYR 102 Cb 0.14 -1.92 -0.01 0.00 -0.40 0.00 0.00 41.96 39.77 1pkq s TYR 102 CO 0.87 -0.38 -0.17 -1.58 -1.57 0.00 0.00 175.55 172.72 1pkq s TRP 103 N 0.76 1.57 0.78 2.71 0.52 -1.26 -1.60 118.94 122.42 1pkq s TRP 103 Ca -0.05 -0.31 -0.13 0.00 0.02 0.00 0.00 56.10 55.63 1pkq s TRP 103 Cb -0.15 -1.01 0.19 0.00 -1.15 0.00 0.00 33.47 31.34 1pkq s TRP 103 CO 0.01 -0.04 0.76 0.41 0.02 0.00 0.00 176.95 178.11 1pkq n GLY 104 N 2.71 -2.39 0.04 0.98 0.00 -0.85 -4.69 105.19 100.99 1pkq n GLY 104 Ca -0.15 -1.53 0.14 0.00 0.00 0.00 0.00 46.02 44.48 1pkq n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pkq n GLN 105 N -3.53 0.10 -0.53 1.61 0.00 -1.25 -4.88 117.38 108.89 1pkq n GLN 105 Ca 0.10 0.07 0.00 0.00 0.00 0.00 0.00 57.00 57.18 1pkq n GLN 105 Cb 0.39 -1.61 0.00 0.00 0.00 0.00 0.00 30.24 29.02 1pkq n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1pkq n GLY 106 N 1.43 -3.24 3.23 2.61 0.00 -1.26 -5.02 105.19 102.94 1pkq n GLY 106 Ca 0.06 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.75 1pkq n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pkq s THR 107 N -4.40 1.35 0.22 2.61 -4.23 -1.08 -4.84 115.64 105.26 1pkq s THR 107 Ca 0.00 -1.59 -0.03 0.00 -1.18 0.00 0.00 61.69 58.89 1pkq s THR 107 Cb 0.00 -1.43 -0.05 0.00 1.34 0.00 0.00 72.50 72.37 1pkq s THR 107 CO 0.00 -0.31 0.44 -0.89 -0.54 0.00 0.00 174.62 173.31 1pkq s THR 108 N -1.77 5.14 -0.13 3.99 2.01 -1.26 -1.89 115.64 121.72 1pkq s THR 108 Ca 0.06 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 61.82 1pkq s THR 108 Cb -0.07 -3.71 0.05 0.00 0.01 0.00 0.00 72.50 68.78 1pkq s THR 108 CO 0.03 -0.18 0.30 -0.69 -0.69 0.00 0.00 174.62 173.39 1pkq s VAL 109 N -1.90 -0.13 -0.05 3.82 1.01 0.17 -4.39 120.40 118.94 1pkq s VAL 109 Ca 0.40 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.57 1pkq s VAL 109 Cb -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.80 1pkq s VAL 109 CO 0.28 0.06 -0.14 -0.89 0.00 0.00 0.00 175.10 174.42 1pkq s THR 110 N 1.55 1.24 -0.22 3.92 2.01 -1.06 -0.09 115.64 122.99 1pkq s THR 110 Ca -0.07 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 1pkq s THR 110 Cb -0.10 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 1pkq s THR 110 CO -0.10 0.37 0.08 -0.69 -0.69 0.00 0.00 174.62 173.59 1pkq s VAL 111 N 0.31 4.64 -0.10 3.82 1.01 -1.26 -2.14 120.40 126.68 1pkq s VAL 111 Ca -0.08 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 1pkq s VAL 111 Cb -0.13 -3.14 0.10 0.00 0.00 0.00 0.00 36.38 33.21 1pkq s VAL 111 CO 0.03 0.38 0.85 -0.55 0.00 0.00 0.00 175.10 175.81 1pkq s SER 112 N 1.09 -0.49 0.00 3.32 0.15 -0.48 -4.66 113.70 112.63 1pkq s SER 112 Ca 0.05 0.50 0.18 0.00 0.70 0.00 0.00 55.95 57.37 1pkq s SER 112 Cb -0.14 0.41 0.59 0.00 -1.71 0.00 0.00 66.02 65.17 1pkq s SER 112 CO 0.03 -0.48 1.45 -1.54 1.20 0.00 0.00 173.24 173.90 1pkq n SER 113 N 0.72 1.96 -4.84 5.45 3.41 -1.26 -3.75 113.62 115.31 1pkq n SER 113 Ca -0.14 -1.83 -0.35 0.00 -0.26 0.00 0.00 58.87 56.29 1pkq n SER 113 Cb 0.58 -0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 1pkq n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pkq s ALA 114 N -1.66 3.56 0.50 7.33 0.00 -1.26 -5.05 121.76 125.17 1pkq s ALA 114 Ca 0.31 -0.09 -0.22 0.00 0.00 0.00 0.00 51.96 51.96 1pkq s ALA 114 Cb 0.17 -2.56 -0.06 0.00 0.00 0.00 0.00 23.12 20.66 1pkq s ALA 114 CO 0.24 0.44 1.23 0.45 0.00 0.00 0.00 175.76 178.11 1pkq s SER 115 N -1.70 5.78 1.35 0.00 0.15 -1.26 -5.00 113.70 113.02 1pkq s SER 115 Ca 0.38 2.45 -0.20 0.00 0.70 0.00 0.00 55.95 59.29 1pkq s SER 115 Cb -0.15 -2.61 0.34 0.00 -1.71 0.00 0.00 66.02 61.89 1pkq s SER 115 CO 0.19 -1.19 0.96 0.28 1.20 0.00 0.00 173.24 174.67 1pkq s THR 116 N -1.48 1.46 0.20 6.45 -1.32 -1.26 -4.79 115.64 114.89 1pkq s THR 116 Ca 0.68 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.98 1pkq s THR 116 Cb -0.32 -2.06 0.03 0.00 -1.51 0.00 0.00 72.50 68.64 1pkq s THR 116 CO 0.38 0.00 0.53 -0.54 -2.21 0.00 0.00 174.62 172.79 1pkq s LYS 117 N -4.86 1.39 -0.35 7.08 -0.14 -0.07 -4.89 119.74 117.90 1pkq s LYS 117 Ca 0.69 -0.85 -0.13 0.00 -1.36 0.00 0.00 55.97 54.32 1pkq s LYS 117 Cb -0.17 0.53 -0.01 0.00 -1.68 0.00 0.00 37.83 36.49 1pkq s LYS 117 CO 0.60 -0.59 0.24 0.20 -0.76 0.00 0.00 175.35 175.04 1pkq s GLY 118 N -2.87 1.96 0.02 -3.33 0.00 -1.26 -4.19 107.32 97.66 1pkq s GLY 118 Ca 0.09 -1.44 -0.30 0.00 0.00 0.00 0.00 44.72 43.07 1pkq s GLY 118 CO -0.03 0.79 1.67 -4.14 0.00 0.00 0.00 173.10 171.39 1pkq s PRO 119 N 1.70 4.19 0.46 2.90 0.02 -1.26 -4.45 135.00 138.57 1pkq s PRO 119 Ca 0.06 2.29 -0.09 0.00 0.02 0.00 0.00 61.00 63.27 1pkq s PRO 119 Cb -0.18 -3.79 -0.05 0.00 0.02 0.00 0.00 34.50 30.50 1pkq s PRO 119 CO 0.10 -0.79 0.81 -1.12 -0.33 0.00 0.00 177.00 175.68 1pkq s SER 120 N 2.92 6.41 -0.26 2.53 0.01 0.37 -4.83 113.70 120.84 1pkq s SER 120 Ca 0.75 1.12 -0.02 0.00 1.31 0.00 0.00 55.95 59.10 1pkq s SER 120 Cb -0.37 -2.32 0.09 0.00 0.21 0.00 0.00 66.02 63.62 1pkq s SER 120 CO 0.32 -0.52 0.09 -0.69 0.41 0.00 0.00 173.24 172.85 1pkq s VAL 121 N -2.59 0.47 -0.34 3.43 1.01 -1.26 -0.36 120.40 120.75 1pkq s VAL 121 Ca 0.51 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1pkq s VAL 121 Cb -0.10 -1.23 0.05 0.00 0.00 0.00 0.00 36.38 35.09 1pkq s VAL 121 CO 0.38 -0.52 0.11 -0.36 0.00 0.00 0.00 175.10 174.71 1pkq s PHE 122 N 1.84 3.28 0.48 5.22 0.08 -0.43 -4.91 117.98 123.55 1pkq s PHE 122 Ca 0.06 -1.55 -0.22 0.00 0.12 0.00 0.00 56.93 55.34 1pkq s PHE 122 Cb -0.17 -2.37 -0.09 0.00 -0.57 0.00 0.00 43.02 39.82 1pkq s PHE 122 CO -0.22 -0.76 0.84 -2.30 -0.10 0.00 0.00 175.22 172.67 1pkq n PRO 123 N 4.78 0.98 -3.63 0.24 -0.02 -1.26 -1.45 135.00 134.65 1pkq n PRO 123 Ca -0.12 0.36 -0.39 0.00 -2.02 0.00 0.00 63.50 61.33 1pkq n PRO 123 Cb 0.44 -1.91 -0.09 0.00 -0.02 0.00 0.00 33.50 31.92 1pkq n PRO 123 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pkq s LEU 124 N -0.19 5.58 0.14 2.45 1.43 0.51 -4.80 118.68 123.80 1pkq s LEU 124 Ca 0.67 -2.21 -0.31 0.00 -1.03 0.00 0.00 54.13 51.24 1pkq s LEU 124 Cb -0.52 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 43.66 1pkq s LEU 124 CO 0.55 -0.58 1.56 0.00 0.23 0.00 0.00 176.35 178.10 1pkq s ALA 125 N 0.90 3.73 0.67 4.21 0.00 -1.26 -1.45 121.76 128.56 1pkq s ALA 125 Ca 0.10 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 53.19 1pkq s ALA 125 Cb -0.23 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.27 1pkq s ALA 125 CO -0.03 -0.81 1.21 -2.14 0.00 0.00 0.00 175.76 173.99 1pkq s PRO 126 N 1.41 2.52 0.00 0.00 0.02 -1.26 -4.88 135.00 132.81 1pkq s PRO 126 Ca 0.70 1.79 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1pkq s PRO 126 Cb -0.42 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.23 1pkq s PRO 126 CO 0.31 -1.55 0.00 -1.13 -0.33 0.00 0.00 177.00 174.30 1pkq n SER 127 N -2.22 0.00 -4.65 2.53 3.41 -1.26 -4.71 113.62 106.72 1pkq n SER 127 Ca 0.14 -0.81 -0.43 0.00 -0.26 0.00 0.00 58.87 57.50 1pkq n SER 127 Cb 0.50 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 1pkq n SER 127 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1pkq s SER 128 N -0.44 6.88 0.00 4.04 0.01 -1.26 -4.88 113.70 118.05 1pkq s SER 128 Ca 0.00 1.40 0.00 0.00 1.31 0.00 0.00 55.95 58.66 1pkq s SER 128 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1pkq s SER 128 CO 0.00 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.40 1pkq n GLY 133 N 3.82 0.00 1.24 3.44 0.00 -1.26 -5.15 105.19 107.28 1pkq n GLY 133 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 1pkq n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pkq n GLY 134 N 0.00 2.38 3.26 -0.02 0.00 -1.26 -4.80 105.19 104.76 1pkq n GLY 134 Ca 0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1pkq n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pkq s THR 135 N -1.79 2.20 0.09 2.61 2.01 -1.26 -0.12 115.64 119.38 1pkq s THR 135 Ca 0.26 -0.99 0.09 0.00 0.31 0.00 0.00 61.69 61.36 1pkq s THR 135 Cb 0.20 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 1pkq s THR 135 CO 0.07 0.56 -0.23 0.00 -0.69 0.00 0.00 174.62 174.33 1pkq s ALA 136 N 0.12 1.99 -0.17 7.40 0.00 0.45 -4.78 121.76 126.77 1pkq s ALA 136 Ca -0.12 -1.27 -0.03 0.00 0.00 0.00 0.00 51.96 50.55 1pkq s ALA 136 Cb -0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 1pkq s ALA 136 CO 0.06 0.43 -0.07 0.00 0.00 0.00 0.00 175.76 176.19 1pkq s ALA 137 N -1.02 2.81 0.00 0.00 0.00 -1.26 0.10 121.76 122.40 1pkq s ALA 137 Ca 0.09 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1pkq s ALA 137 Cb -0.10 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1pkq s ALA 137 CO 0.04 0.02 0.00 1.47 0.00 0.00 0.00 175.76 177.29 1pkq n LEU 138 N 3.93 0.00 0.00 0.00 -0.00 -0.90 -4.13 117.00 115.90 1pkq n LEU 138 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 1pkq n LEU 138 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1pkq n LEU 138 CO 0.31 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.31 1pkq n GLY 139 N 4.01 0.32 3.33 1.47 0.00 -0.53 -2.98 105.19 110.81 1pkq n GLY 139 Ca 0.00 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.22 1pkq n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkq s LEU 141 N -3.29 2.98 -0.27 0.00 2.96 -0.53 -0.74 118.68 119.80 1pkq s LEU 141 Ca 0.22 -1.63 -0.24 0.00 -0.22 0.00 0.00 54.13 52.26 1pkq s LEU 141 Cb 0.01 -1.15 -0.00 0.00 0.50 0.00 0.00 46.19 45.55 1pkq s LEU 141 CO 0.06 -0.35 0.83 -0.69 -1.32 0.00 0.00 176.35 174.87 1pkq s VAL 142 N 1.37 4.80 0.12 1.68 1.01 0.44 -1.31 120.40 128.52 1pkq s VAL 142 Ca 0.06 1.45 0.09 0.00 0.00 0.00 0.00 61.98 63.58 1pkq s VAL 142 Cb -0.18 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1pkq s VAL 142 CO -0.15 -0.16 -0.22 -0.75 0.00 0.00 0.00 175.10 173.83 1pkq s LYS 143 N 2.93 1.20 -1.20 2.72 2.20 0.51 0.06 119.74 128.17 1pkq s LYS 143 Ca 0.35 -1.23 -0.13 0.00 -0.36 0.00 0.00 55.97 54.59 1pkq s LYS 143 Cb -0.15 -1.50 -0.01 0.00 -1.51 0.00 0.00 37.83 34.66 1pkq s LYS 143 CO 0.09 0.35 0.73 -0.25 -0.36 0.00 0.00 175.35 175.91 1pkq n ASP 144 N 0.95 -3.94 -4.39 1.43 8.00 -0.73 0.14 116.55 118.02 1pkq n ASP 144 Ca -0.18 -0.96 -0.24 0.00 0.71 0.00 0.00 54.79 54.12 1pkq n ASP 144 Cb 0.54 -3.61 -0.11 0.00 -0.02 0.00 0.00 41.12 37.92 1pkq n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1pkq s TYR 145 N -3.57 2.05 -0.27 1.24 -0.85 -0.98 -4.01 117.35 110.95 1pkq s TYR 145 Ca 0.32 -0.42 -0.25 0.00 -0.52 0.00 0.00 57.07 56.21 1pkq s TYR 145 Cb -0.10 -0.99 0.08 0.00 0.38 0.00 0.00 41.96 41.33 1pkq s TYR 145 CO 0.85 0.45 0.79 0.12 -1.52 0.00 0.00 175.55 176.24 1pkq s PHE 146 N -2.05 -0.73 0.18 -3.49 5.36 -1.26 0.25 117.98 116.25 1pkq s PHE 146 Ca 0.20 1.75 0.01 0.00 -0.96 0.00 0.00 56.93 57.94 1pkq s PHE 146 Cb -0.06 0.30 0.03 0.00 -0.34 0.00 0.00 43.02 42.96 1pkq s PHE 146 CO 0.09 -0.35 0.25 -0.35 -1.46 0.00 0.00 175.22 173.40 1pkq n PRO 147 N 2.65 0.62 -1.12 10.12 -0.04 -1.26 -0.89 135.00 145.08 1pkq n PRO 147 Ca -0.14 -0.80 -0.30 0.00 -0.04 0.00 0.00 63.50 62.22 1pkq n PRO 147 Cb 0.55 -0.13 0.14 0.00 -0.04 0.00 0.00 33.50 34.02 1pkq n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1pkq s GLU 148 N -2.96 1.30 0.50 0.54 2.02 -1.26 -4.81 118.70 114.03 1pkq s GLU 148 Ca 0.18 0.98 0.06 0.00 0.02 0.00 0.00 54.97 56.20 1pkq s GLU 148 Cb -0.01 -1.80 0.01 0.00 0.10 0.00 0.00 34.13 32.42 1pkq s GLU 148 CO 0.12 -2.25 0.33 -1.25 0.02 0.00 0.00 175.26 172.22 1pkq s PRO 149 N -4.87 2.29 0.04 0.39 0.04 -1.26 -4.92 135.00 126.71 1pkq s PRO 149 Ca 0.64 -1.93 0.06 0.00 0.04 0.00 0.00 61.00 59.80 1pkq s PRO 149 Cb -0.19 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 1pkq s PRO 149 CO 0.57 -0.43 -0.16 0.08 0.04 0.00 0.00 177.00 177.10 1pkq s VAL 150 N -2.70 1.27 -0.19 -0.36 1.01 -1.26 -4.58 120.40 113.60 1pkq s VAL 150 Ca 0.36 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 1pkq s VAL 150 Cb -0.01 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 1pkq s VAL 150 CO 0.21 0.08 -0.10 0.42 0.00 0.00 0.00 175.10 175.71 1pkq s THR 151 N -0.81 2.94 -0.11 3.92 -4.23 0.94 -4.95 115.64 113.34 1pkq s THR 151 Ca 0.03 -0.65 0.03 0.00 -1.18 0.00 0.00 61.69 59.93 1pkq s THR 151 Cb -0.08 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1pkq s THR 151 CO 0.01 0.48 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.65 1pkq s VAL 152 N 1.19 2.04 0.19 2.29 1.01 -1.26 -0.86 120.40 125.00 1pkq s VAL 152 Ca 0.02 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1pkq s VAL 152 Cb -0.14 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1pkq s VAL 152 CO -0.04 0.55 0.06 -0.94 0.00 0.00 0.00 175.10 174.73 1pkq s SER 153 N 0.52 0.82 -0.15 3.32 1.04 -0.55 -4.93 113.70 113.77 1pkq s SER 153 Ca -0.14 -1.27 0.02 0.00 0.48 0.00 0.00 55.95 55.03 1pkq s SER 153 Cb -0.17 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.18 1pkq s SER 153 CO 0.05 -0.69 -0.21 0.26 0.98 0.00 0.00 173.24 173.63 1pkq s TRP 154 N -3.86 2.62 -1.67 5.02 0.52 -1.26 0.33 118.94 120.64 1pkq s TRP 154 Ca 0.30 -1.39 0.00 0.00 0.02 0.00 0.00 56.10 55.03 1pkq s TRP 154 Cb 0.07 -1.80 0.00 0.00 -1.15 0.00 0.00 33.47 30.59 1pkq s TRP 154 CO 0.07 -0.66 0.00 0.09 0.02 0.00 0.00 176.95 176.48 1pkq n ASN 155 N 4.25 -5.18 -0.87 2.95 3.02 0.10 -2.00 115.26 117.54 1pkq n ASN 155 Ca -0.20 0.16 -0.11 0.00 -0.03 0.00 0.00 54.58 54.41 1pkq n ASN 155 Cb 0.51 -4.25 -0.05 0.00 -0.61 0.00 0.00 39.78 35.39 1pkq n ASN 155 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1pkq n SER 156 N -1.19 -5.10 0.00 6.41 2.88 -1.26 -1.91 113.62 113.45 1pkq n SER 156 Ca -0.20 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1pkq n SER 156 Cb 0.63 -3.86 0.00 0.00 -0.75 0.00 0.00 64.21 60.23 1pkq n SER 156 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pkq n GLY 157 N 0.19 1.28 0.00 0.46 0.00 -0.85 -4.97 105.19 101.31 1pkq n GLY 157 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1pkq n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkq n ALA 158 N 0.00 1.83 -3.52 4.61 0.00 -0.80 -4.47 120.51 118.16 1pkq n ALA 158 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1pkq n ALA 158 Cb 0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.36 1pkq n ALA 158 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pkq s LEU 159 N -1.03 -0.29 0.00 0.00 2.96 -1.16 -4.96 118.68 114.20 1pkq s LEU 159 Ca 0.00 1.19 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 1pkq s LEU 159 Cb 0.00 1.98 0.00 0.00 0.50 0.00 0.00 46.19 48.67 1pkq s LEU 159 CO 0.00 -0.21 0.00 0.35 -1.32 0.00 0.00 176.35 175.18 1pkq n THR 160 N 3.09 0.00 -2.17 3.68 -2.24 -1.26 -4.52 114.28 110.85 1pkq n THR 160 Ca -0.15 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.23 1pkq n THR 160 Cb 0.56 -0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.49 1pkq n THR 160 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1pkq s SER 161 N -3.76 6.51 0.00 3.42 0.01 -1.26 -2.47 113.70 116.15 1pkq s SER 161 Ca 0.00 2.53 0.00 0.00 1.31 0.00 0.00 55.95 59.79 1pkq s SER 161 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1pkq s SER 161 CO 0.00 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.56 1pkq n GLY 162 N 0.71 0.78 3.50 3.44 0.00 -1.26 -4.82 105.19 107.55 1pkq n GLY 162 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1pkq n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pkq s VAL 163 N -3.11 4.68 -0.33 1.61 1.01 -1.03 -3.24 120.40 119.99 1pkq s VAL 163 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 1pkq s VAL 163 Cb 0.00 -4.35 0.01 0.00 0.00 0.00 0.00 36.38 32.04 1pkq s VAL 163 CO 0.00 -0.82 0.17 -1.00 0.00 0.00 0.00 175.10 173.44 1pkq s HIS 164 N 3.17 3.20 -0.30 5.22 3.76 0.11 -4.99 115.29 125.47 1pkq s HIS 164 Ca 0.24 -0.76 -0.09 0.00 -0.15 0.00 0.00 55.06 54.30 1pkq s HIS 164 Cb -0.15 -2.38 -0.01 0.00 1.11 0.00 0.00 32.58 31.16 1pkq s HIS 164 CO 0.18 -0.54 0.12 0.99 -0.85 0.00 0.00 174.74 174.64 1pkq s THR 165 N 1.58 4.40 0.42 1.30 2.01 -1.26 -0.57 115.64 123.51 1pkq s THR 165 Ca 0.03 -0.46 -0.24 0.00 0.31 0.00 0.00 61.69 61.34 1pkq s THR 165 Cb -0.18 -3.22 -0.08 0.00 0.01 0.00 0.00 72.50 69.03 1pkq s THR 165 CO 0.06 0.11 1.11 -0.36 -0.69 0.00 0.00 174.62 174.85 1pkq s PHE 166 N 1.58 3.10 0.40 4.92 0.40 -0.72 -4.98 117.98 122.68 1pkq s PHE 166 Ca 0.04 1.59 -0.27 0.00 -0.60 0.00 0.00 56.93 57.70 1pkq s PHE 166 Cb -0.17 -3.26 -0.10 0.00 0.51 0.00 0.00 43.02 40.01 1pkq s PHE 166 CO 0.05 -1.04 1.40 -2.14 0.70 0.00 0.00 175.22 174.19 1pkq s PRO 167 N -2.52 3.99 1.14 0.24 0.02 -1.26 -4.69 135.00 131.92 1pkq s PRO 167 Ca 0.59 2.39 -0.17 0.00 0.02 0.00 0.00 61.00 63.84 1pkq s PRO 167 Cb -0.26 -2.85 0.22 0.00 0.02 0.00 0.00 34.50 31.64 1pkq s PRO 167 CO 0.32 -0.56 0.46 0.00 -0.33 0.00 0.00 177.00 176.89 1pkq n ALA 168 N 0.24 -2.25 -3.28 -1.55 0.00 -1.26 -4.91 120.51 107.50 1pkq n ALA 168 Ca 0.03 -1.30 -0.14 0.00 0.00 0.00 0.00 53.44 52.03 1pkq n ALA 168 Cb 0.41 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 1pkq n ALA 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1pkq s VAL 169 N -2.11 0.05 -0.47 0.00 -7.23 -0.87 -4.95 120.40 104.82 1pkq s VAL 169 Ca 0.47 -0.39 -0.21 0.00 -1.81 0.00 0.00 61.98 60.03 1pkq s VAL 169 Cb -0.09 -0.71 0.03 0.00 0.56 0.00 0.00 36.38 36.17 1pkq s VAL 169 CO 0.44 -0.22 0.71 -0.22 -0.31 0.00 0.00 175.10 175.50 1pkq s LEU 170 N -1.37 4.48 0.41 1.32 2.96 -1.26 -2.24 118.68 122.99 1pkq s LEU 170 Ca -0.12 -0.40 -0.23 0.00 -0.22 0.00 0.00 54.13 53.15 1pkq s LEU 170 Cb -0.04 -2.74 -0.09 0.00 0.50 0.00 0.00 46.19 43.82 1pkq s LEU 170 CO 0.05 -0.89 1.01 -1.10 -1.32 0.00 0.00 176.35 174.10 1pkq s GLN 171 N 3.03 4.19 0.00 1.98 -0.21 0.02 -4.88 119.66 123.78 1pkq s GLN 171 Ca 0.24 1.37 0.00 0.00 0.02 0.00 0.00 55.36 56.98 1pkq s GLN 171 Cb -0.14 -2.43 0.00 0.00 1.00 0.00 0.00 33.01 31.43 1pkq s GLN 171 CO 0.18 -0.09 0.92 -1.13 -2.12 0.00 0.00 175.29 173.05 1pkq n SER 172 N -0.24 0.00 -0.26 5.90 3.41 -1.26 0.20 113.62 121.37 1pkq n SER 172 Ca 0.06 0.42 0.13 0.00 -0.26 0.00 0.00 58.87 59.21 1pkq n SER 172 Cb 0.51 -0.42 0.60 0.00 -0.26 0.00 0.00 64.21 64.65 1pkq n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pkq n SER 173 N -1.42 0.80 0.00 4.04 3.41 -1.26 -4.89 113.62 114.31 1pkq n SER 173 Ca 0.00 -1.40 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 1pkq n SER 173 Cb 0.07 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1pkq n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pkq n GLY 174 N 1.03 1.21 3.84 5.00 0.00 0.13 -5.02 105.19 111.38 1pkq n GLY 174 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1pkq n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pkq s LEU 175 N 0.00 3.52 0.24 0.99 1.43 -1.24 -4.88 118.68 118.74 1pkq s LEU 175 Ca 0.00 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1pkq s LEU 175 Cb 0.00 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1pkq s LEU 175 CO 0.00 -0.41 0.46 -0.31 0.23 0.00 0.00 176.35 176.32 1pkq s TYR 176 N -2.35 3.48 -0.00 0.29 2.02 0.14 -0.80 117.35 120.12 1pkq s TYR 176 Ca 0.42 0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 57.52 1pkq s TYR 176 Cb -0.05 -1.93 -0.00 0.00 -0.40 0.00 0.00 41.96 39.58 1pkq s TYR 176 CO 0.26 0.29 0.05 0.45 -1.57 0.00 0.00 175.55 175.04 1pkq s SER 177 N -3.27 0.05 -0.16 2.29 0.15 -0.95 -1.76 113.70 110.06 1pkq s SER 177 Ca 0.40 -0.16 -0.24 0.00 0.70 0.00 0.00 55.95 56.66 1pkq s SER 177 Cb -0.11 0.14 0.06 0.00 -1.71 0.00 0.00 66.02 64.41 1pkq s SER 177 CO 0.30 -0.20 0.61 -0.22 1.20 0.00 0.00 173.24 174.93 1pkq s LEU 178 N -0.81 -0.34 -0.04 3.45 0.20 0.11 -2.06 118.68 119.20 1pkq s LEU 178 Ca -0.09 0.99 0.06 0.00 0.69 0.00 0.00 54.13 55.78 1pkq s LEU 178 Cb -0.05 2.17 -0.02 0.00 -0.43 0.00 0.00 46.19 47.86 1pkq s LEU 178 CO 0.00 -0.35 -0.22 -0.44 -0.29 0.00 0.00 176.35 175.05 1pkq s SER 179 N -0.27 3.36 -0.25 3.68 0.01 -1.26 0.17 113.70 119.14 1pkq s SER 179 Ca -0.05 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 56.84 1pkq s SER 179 Cb -0.03 -0.62 0.06 0.00 0.21 0.00 0.00 66.02 65.65 1pkq s SER 179 CO 0.04 0.31 -0.06 -0.55 0.41 0.00 0.00 173.24 173.38 1pkq s SER 180 N -0.53 4.08 0.22 2.44 0.15 0.08 -1.75 113.70 118.39 1pkq s SER 180 Ca 0.07 -1.30 0.07 0.00 0.70 0.00 0.00 55.95 55.50 1pkq s SER 180 Cb -0.11 -1.31 -0.04 0.00 -1.71 0.00 0.00 66.02 62.86 1pkq s SER 180 CO 0.00 -0.23 0.09 0.68 1.20 0.00 0.00 173.24 174.98 1pkq s VAL 181 N 1.29 4.05 -0.26 4.45 -7.23 0.26 -0.29 120.40 122.67 1pkq s VAL 181 Ca -0.06 -1.47 -0.13 0.00 -1.81 0.00 0.00 61.98 58.52 1pkq s VAL 181 Cb -0.19 -3.12 0.09 0.00 0.56 0.00 0.00 36.38 33.72 1pkq s VAL 181 CO -0.06 -0.25 0.62 0.54 -0.31 0.00 0.00 175.10 175.63 1pkq s VAL 182 N -2.01 -0.33 0.04 1.32 0.11 -1.16 0.06 120.40 118.42 1pkq s VAL 182 Ca 0.31 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.27 1pkq s VAL 182 Cb -0.08 -0.92 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 1pkq s VAL 182 CO 0.22 0.01 0.39 0.42 -3.33 0.00 0.00 175.10 172.81 1pkq s THR 183 N 2.04 5.09 0.23 5.04 -4.23 -1.20 -2.12 115.64 120.50 1pkq s THR 183 Ca -0.08 0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 60.94 1pkq s THR 183 Cb -0.08 -3.66 -0.02 0.00 1.34 0.00 0.00 72.50 70.08 1pkq s THR 183 CO -0.18 0.42 0.33 0.68 -0.54 0.00 0.00 174.62 175.33 1pkq s VAL 184 N -1.26 0.00 0.31 2.29 -7.23 0.29 -4.85 120.40 109.96 1pkq s VAL 184 Ca 0.28 -1.67 -0.29 0.00 -1.81 0.00 0.00 61.98 58.49 1pkq s VAL 184 Cb -0.15 -2.34 -0.11 0.00 0.56 0.00 0.00 36.38 34.34 1pkq s VAL 184 CO 0.15 0.00 1.54 -2.84 -0.31 0.00 0.00 175.10 173.65 1pkq s PRO 185 N -4.05 4.14 0.31 4.82 0.02 -1.26 0.17 135.00 139.16 1pkq s PRO 185 Ca 0.30 2.54 0.07 0.00 0.02 0.00 0.00 61.00 63.92 1pkq s PRO 185 Cb 0.03 -3.02 0.76 0.00 0.02 0.00 0.00 34.50 32.28 1pkq s PRO 185 CO 0.11 -0.57 1.80 0.77 -0.33 0.00 0.00 177.00 178.77 1pkq h SER 186 N 4.37 0.76 0.64 2.53 0.02 -0.83 -0.69 113.55 120.36 1pkq h SER 186 Ca -0.48 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.52 1pkq h SER 186 Cb 1.22 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.71 1pkq h SER 186 CO 0.75 0.30 -0.31 0.28 -1.14 0.00 0.00 176.83 176.71 1pkq h SER 187 N 0.76 -0.74 -0.90 3.07 0.02 -1.89 -3.21 113.55 110.65 1pkq h SER 187 Ca 0.55 0.03 0.12 0.00 -0.84 0.00 0.00 61.79 61.65 1pkq h SER 187 Cb 0.87 0.19 -0.13 0.00 0.14 0.00 0.00 62.40 63.47 1pkq h SER 187 CO -0.34 -0.52 -0.41 -1.54 -1.14 0.00 0.00 176.83 172.88 1pkq n SER 188 N -5.46 -0.71 -0.26 3.07 3.41 -0.28 -1.88 113.62 111.51 1pkq n SER 188 Ca -0.13 1.59 0.21 0.00 -0.26 0.00 0.00 58.87 60.28 1pkq n SER 188 Cb 0.35 -0.31 0.40 0.00 -0.26 0.00 0.00 64.21 64.39 1pkq n SER 188 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pkq n LEU 189 N -5.27 0.16 0.19 1.04 4.77 -1.10 -0.70 117.00 116.08 1pkq n LEU 189 Ca 0.07 1.35 0.14 0.00 -0.03 0.00 0.00 56.01 57.53 1pkq n LEU 189 Cb 0.32 -0.60 0.58 0.00 -2.33 0.00 0.00 43.42 41.39 1pkq n LEU 189 CO -0.13 -1.46 0.91 1.23 -1.33 0.00 0.00 177.39 176.61 1pkq h GLY 190 N 0.00 0.00 0.00 -0.72 0.00 -1.56 -3.30 103.07 97.49 1pkq h GLY 190 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.95 1pkq h GLY 190 CO -0.66 0.00 -0.41 2.41 0.00 0.00 0.00 176.54 177.88 1pkq n THR 191 N -2.54 0.00 -2.99 4.70 -1.04 0.12 -5.06 114.28 107.47 1pkq n THR 191 Ca 0.01 -0.11 -0.40 0.00 -2.04 0.00 0.00 64.05 61.51 1pkq n THR 191 Cb 0.24 0.56 -0.04 0.00 -1.82 0.00 0.00 70.33 69.26 1pkq n THR 191 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1pkq s GLN 192 N -1.05 4.43 -0.85 -2.82 2.00 -0.16 -5.02 119.66 116.19 1pkq s GLN 192 Ca 0.00 0.95 -0.22 0.00 -2.00 0.00 0.00 55.36 54.09 1pkq s GLN 192 Cb 0.00 -3.47 0.08 0.00 0.80 0.00 0.00 33.01 30.42 1pkq s GLN 192 CO 0.00 -0.00 1.18 -0.08 -0.50 0.00 0.00 175.29 175.89 1pkq s THR 193 N 1.00 4.28 -0.70 -0.34 -1.32 -1.26 -4.82 115.64 112.48 1pkq s THR 193 Ca 0.39 -0.78 -0.20 0.00 -1.21 0.00 0.00 61.69 59.89 1pkq s THR 193 Cb -0.18 -4.84 0.11 0.00 -1.51 0.00 0.00 72.50 66.07 1pkq s THR 193 CO 0.18 -1.65 0.88 -0.31 -2.21 0.00 0.00 174.62 171.52 1pkq s TYR 194 N 4.03 2.97 -0.09 9.09 2.02 -1.26 -4.84 117.35 129.27 1pkq s TYR 194 Ca 0.33 -0.99 0.04 0.00 -0.37 0.00 0.00 57.07 56.09 1pkq s TYR 194 Cb -0.07 -4.15 -0.00 0.00 -0.40 0.00 0.00 41.96 37.33 1pkq s TYR 194 CO -0.01 -1.43 -0.23 0.42 -1.57 0.00 0.00 175.55 172.73 1pkq s ILE 195 N 2.98 1.95 -0.23 2.71 1.01 -1.26 -1.36 121.20 126.99 1pkq s ILE 195 Ca 0.20 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 59.75 1pkq s ILE 195 Cb -0.17 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1pkq s ILE 195 CO 0.03 0.54 0.29 0.00 0.00 0.00 0.00 174.94 175.80 1pkq s ASN 197 N 1.21 6.20 0.06 0.00 0.01 0.98 -2.74 114.94 120.65 1pkq s ASN 197 Ca 0.13 -1.08 -0.12 0.00 -0.71 0.00 0.00 52.86 51.07 1pkq s ASN 197 Cb -0.15 -2.35 -0.06 0.00 0.41 0.00 0.00 41.25 39.11 1pkq s ASN 197 CO 0.07 -1.18 0.43 -0.69 -1.51 0.00 0.00 177.10 174.22 1pkq s VAL 198 N 3.22 5.03 -0.10 1.60 1.01 -0.05 -1.49 120.40 129.62 1pkq s VAL 198 Ca 0.17 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.78 1pkq s VAL 198 Cb -0.20 -3.69 0.05 0.00 0.00 0.00 0.00 36.38 32.55 1pkq s VAL 198 CO 0.10 0.40 0.22 0.21 0.00 0.00 0.00 175.10 176.03 1pkq s ASN 199 N -1.47 0.05 -0.45 3.32 3.84 -0.04 -1.96 114.94 118.23 1pkq s ASN 199 Ca 0.30 0.48 0.03 0.00 0.21 0.00 0.00 52.86 53.88 1pkq s ASN 199 Cb -0.15 0.43 0.16 0.00 -0.55 0.00 0.00 41.25 41.14 1pkq s ASN 199 CO 0.16 -0.19 0.33 -2.28 -2.79 0.00 0.00 177.10 172.33 1pkq s HIS 200 N 1.67 1.48 0.22 0.43 5.65 0.01 -0.04 115.29 124.70 1pkq s HIS 200 Ca -0.05 -2.37 -0.10 0.00 0.25 0.00 0.00 55.06 52.79 1pkq s HIS 200 Cb -0.11 -1.27 0.32 0.00 -1.18 0.00 0.00 32.58 30.34 1pkq s HIS 200 CO -0.08 -0.78 1.68 -0.22 -0.65 0.00 0.00 174.74 174.69 1pkq h LYS 201 N 5.92 0.17 0.00 2.88 1.63 -1.81 0.11 116.57 125.47 1pkq h LYS 201 Ca 0.19 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1pkq h LYS 201 Cb 0.90 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 1pkq h LYS 201 CO 0.41 0.11 0.00 -2.30 -3.45 0.00 0.00 179.45 174.23 1pkq n PRO 202 N -5.22 0.00 0.00 1.90 -0.02 -1.26 0.15 135.00 130.54 1pkq n PRO 202 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1pkq n PRO 202 Cb 0.37 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 1pkq n PRO 202 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1pkq n SER 203 N -0.58 0.00 0.00 2.55 2.88 0.23 -4.70 113.62 114.00 1pkq n SER 203 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pkq n SER 203 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1pkq n SER 203 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1pkq n ASN 204 N 0.00 0.00 -4.69 -3.46 2.04 0.12 -5.01 115.26 104.25 1pkq n ASN 204 Ca 0.00 0.00 -0.44 0.00 -0.44 0.00 0.00 54.58 53.70 1pkq n ASN 204 Cb 0.00 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.21 1pkq n ASN 204 CO 0.00 0.00 0.00 0.41 -0.44 0.00 0.00 177.26 177.23 1pkq n THR 205 N -2.00 0.06 -3.32 5.53 -1.04 -1.07 -4.86 114.28 107.58 1pkq n THR 205 Ca 0.00 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.05 61.75 1pkq n THR 205 Cb 0.00 -1.81 -0.09 0.00 -1.82 0.00 0.00 70.33 66.61 1pkq n THR 205 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1pkq n LYS 206 N 4.01 0.28 -3.52 -2.82 4.76 -1.26 -0.81 118.16 118.79 1pkq n LYS 206 Ca 0.17 -3.10 -0.35 0.00 -2.87 0.00 0.00 58.31 52.16 1pkq n LYS 206 Cb 0.32 -1.59 -0.06 0.00 -1.84 0.00 0.00 35.03 31.87 1pkq n LYS 206 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1pkq s VAL 207 N -0.06 5.04 -0.25 -0.18 1.01 -0.83 -4.93 120.40 120.20 1pkq s VAL 207 Ca 0.33 0.58 0.01 0.00 0.00 0.00 0.00 61.98 62.90 1pkq s VAL 207 Cb 0.06 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.83 1pkq s VAL 207 CO -0.18 0.32 -0.03 -1.81 0.00 0.00 0.00 175.10 173.40 1pkq s ASP 208 N -1.65 3.89 -0.18 3.32 1.01 -1.26 -0.88 116.67 120.93 1pkq s ASP 208 Ca 0.32 -1.26 -0.03 0.00 0.71 0.00 0.00 52.55 52.29 1pkq s ASP 208 Cb -0.15 -1.17 -0.02 0.00 1.01 0.00 0.00 42.92 42.60 1pkq s ASP 208 CO 0.17 -0.26 -0.04 -0.75 0.21 0.00 0.00 175.17 174.50 1pkq s LYS 209 N 1.39 3.51 0.41 8.23 2.47 -1.11 -4.98 119.74 129.67 1pkq s LYS 209 Ca -0.03 -0.58 -0.20 0.00 -1.56 0.00 0.00 55.97 53.59 1pkq s LYS 209 Cb -0.19 -2.94 -0.11 0.00 -1.46 0.00 0.00 37.83 33.13 1pkq s LYS 209 CO -0.08 0.03 0.92 -1.59 0.16 0.00 0.00 175.35 174.79 1pkq s LYS 210 N 0.90 4.22 -0.05 4.03 -2.85 -1.26 -2.14 119.74 122.59 1pkq s LYS 210 Ca -0.01 1.07 0.25 0.00 -1.00 0.00 0.00 55.97 56.28 1pkq s LYS 210 Cb -0.15 -2.25 0.44 0.00 -2.06 0.00 0.00 37.83 33.81 1pkq s LYS 210 CO 0.01 0.01 1.16 0.28 0.10 0.00 0.00 175.35 176.91 1pkq n VAL 211 N -0.54 0.24 -0.13 1.79 0.31 -0.46 -4.95 118.33 114.58 1pkq n VAL 211 Ca 0.06 -1.34 -0.18 0.00 -0.01 0.00 0.00 64.34 62.87 1pkq n VAL 211 Cb 0.54 1.05 0.17 0.00 -0.91 0.00 0.00 33.84 34.69 1pkq n VAL 211 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1pkq n GLU 212 N 0.27 -3.71 0.00 5.55 -0.00 -1.26 -4.43 120.64 117.06 1pkq n GLU 212 Ca 0.05 -0.86 0.00 0.00 -0.00 0.00 0.00 57.16 56.36 1pkq n GLU 212 Cb 1.07 -1.11 0.00 0.00 -0.00 0.00 0.00 31.44 31.40 1pkq n GLU 212 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83